2,3-diaminobenzamide;hydrochloride

C7H10ClN3O — CID 118989521

IUPAC2,3-diaminobenzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(N)c1N
InChIInChI=1S/C7H9N3O.ClH/c8-5-3-1-2-4(6(5)9)7(10)11;/h1-3H,8-9H2,(H2,10,11);1H
InChIKeyKATIDBRDNZJLHY-UHFFFAOYSA-N
MW187.63 g/mol
LogP0.37
Rot. Bonds1

About 2,3-diaminobenzamide;hydrochloride

2,3-diaminobenzamide;hydrochloride (PubChem CID 118989521) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 2,3-diaminobenzamide;hydrochloride.

Molecular Properties

Compound Name2,3-diaminobenzamide;hydrochloride
PubChem CID118989521
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name2,3-diaminobenzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(N)c1N
InChIInChI=1S/C7H9N3O.ClH/c8-5-3-1-2-4(6(5)9)7(10)11;/h1-3H,8-9H2,(H2,10,11);1H
InChIKeyKATIDBRDNZJLHY-UHFFFAOYSA-N
XLogP0.37
TPSA95.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,3-diaminobenzamide;dihydrochloride
CID 53422807
bis(2-aminobenzamide);platinum(2+)
CID 50912239
3-amino-2-iodobenzamide
CID 70101113
2-amino-3-[2-(2-amino-3-carbamoylphenyl)phenyl]benzamide
CID 54284404
2-amino-3-iodobenzamide
CID 67497450
amino 2,3-diaminobenzoate
CID 66872276
2,3-diaminobenzene-1,4-dicarboxamide
CID 142757766
2,3-diaminobenzohydrazide
CID 54556928
3-amino-2-ethylbenzamide;dihydrochloride
CID 174785201
2-aminobenzamide;piperazine
CID 174878244
1-(2,3-diaminophenyl)-2-phenylethane-1,2-dione
CID 18936582
1-(2,3-diaminophenyl)propan-1-one
CID 14773132

Frequently Asked Questions

What is the IUPAC name of 2,3-diaminobenzamide;hydrochloride?
The IUPAC name of 2,3-diaminobenzamide;hydrochloride (CID 118989521) is 2,3-diaminobenzamide;hydrochloride.
What is the SMILES notation for 2,3-diaminobenzamide;hydrochloride?
The canonical SMILES for 2,3-diaminobenzamide;hydrochloride is Cl.NC(=O)c1cccc(N)c1N.
What is the InChIKey of 2,3-diaminobenzamide;hydrochloride?
The InChIKey is KATIDBRDNZJLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O.ClH/c8-5-3-1-2-4(6(5)9)7(10)11;/h1-3H,8-9H2,(H2,10,11);1H.
What are the key properties of 2,3-diaminobenzamide;hydrochloride?
2,3-diaminobenzamide;hydrochloride has a molecular weight of 187.63 g/mol, XLogP of 0.37, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diaminobenzamide;hydrochloride is sourced from PubChem (CID 118989521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).